Rovibrational matrix elements of polarizability of HD, HT and DT molecules |
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Authors: | SVN Bhaskara Rao TK Balasubramanian |
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Institution: | Spectroscopy Division, Modular Laboratories, Bhabha Atomic Research Centre, Trombay, Mumbai 400085, India |
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Abstract: | Fresh computations of rovibrational matrix elements of the polarizability α=(α||+2α⊥)/3] and the polarizability anisotropy γ(=α||−α⊥) of the heteronuclear isotopomers, HD, HT, and DT, of the hydrogen molecule are presented. The computations combine the most accurate polarizability functions α(R) and γ(R) (R being the bond distance) on the one hand and the most accurate adiabatic potential on the other. The calculations are extended to the product operators xα and xγ where x is the centre of mass to centre of charge separation in the heteronuclear species. The latter matrix elements are needed, additionally, for elucidating the absorption intensities of some of the zero-phonon rovibrational transitions peculiar to the heteronuclear species in the crystalline phase. |
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Keywords: | Induced transitions Heteronuclear molecules Intensities |
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